noinil / genesis_cg_toolLinks
Prepare topology and coordinate file for CG models in Genesis.
☆11Updated 3 months ago
Alternatives and similar repositories for genesis_cg_tool
Users that are interested in genesis_cg_tool are comparing it to the libraries listed below
Sorting:
- Source, test set, and document for Molecular Dynamics software, GENESIS.☆36Updated 7 months ago
- MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules☆21Updated 6 months ago
- Software package for spin dynamics☆12Updated this week
- Quickly generate, start and analyze benchmarks for molecular dynamics simulations.☆80Updated last year
- Get access to our MD data files.☆29Updated last year
- GraphVAMPnets combines graph neural networks with variational approach for Markovian process (VAMP) theory to identify the slow collectiv…☆12Updated last year
- Physical validation of molecular simulations☆57Updated this week
- general purpose coarse-grained molecular dynamics simulation package☆35Updated 2 years ago
- Coarse-grained molecular model of DNA (LAMMPS plugin)☆17Updated 3 years ago
- COSMO: COarse-grained Simulation of intrinsically disordered prOteins with openMM☆13Updated last month
- A Python implementation of the direct MaxFlux method for transition state search☆32Updated 2 months ago
- The future of Packmol☆38Updated 4 months ago
- Basis set optimization library for quantum chemistry☆35Updated 3 months ago
- Enhanced sampling methods for molecular dynamics simulations☆39Updated 2 years ago
- Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular☆46Updated last year
- Data and scripts for comprehensive benchmark of conformer relative energies☆25Updated 5 years ago
- C++11/Python3 library to read/write High Speed AFM data file☆14Updated 2 years ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆56Updated this week
- Fast PBC wrapping and unwrapping for VMD☆23Updated 10 months ago
- helPME: an efficient library for particle mesh Ewald☆29Updated 3 years ago
- N-Dimensional MD engine with symmetry group constraints written in C☆50Updated last year
- An example of how to write a plugin for OpenMM☆31Updated last year
- an interface to semi-empirical quantum chemistry methods implemented with pytorch☆61Updated this week
- Atoms-in-molecules density partitioning schemes based on stockholder recipe☆22Updated this week
- Equivariant GNN for the prediction of atomic multipoles up to quadrupoles.☆30Updated 3 years ago
- Massively parallel hybrid particle-field molecular dynamics in Python.☆29Updated last year
- How to analyze molecular dynamics data with PyEMMA☆78Updated 6 years ago
- A plugin that allows the use of Tensorflow in Hoomd-Blue for GPU-accelerated ML+MD☆33Updated last year
- Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.☆26Updated 4 years ago
- Ensembler is a python package that provides fast and easy access to 1D and 2D model system simulations. It can be used for method develop…☆54Updated last year